[3-butyl-5-(furan-2-yl)-2-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate

Systemtic Name: [3-butyl-5-(furan-2-yl)-2-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [3-butyl-5-(2-furyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-butyl-5-(2-furanyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-butyl-5-(furan-2-yl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-butyl-5-(2-furyl)-6,8-diketo-2-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester Formula: C33H31NO7 MolecularWeight: 553.60174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3=CC=C(C=C3)OC)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CN1C3=CC=C(C=C3)OC)(C)OC(=O)C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C33H31NO7/c1-5-6-8-23-19-26-27(20-34(23)22-12-16-25(39-4)17-13-22)30(35)33(2,31(36)29(26)28-9-7-18-40-28)41-32(37)21-10-14-24(38-3)15-11-21/h7,9-20H,5-6,8H2,1-4H3